| CAS Number | 1272758-28-7 |
| Catalog Number | AG000WVH(AGN-PC-0WCYLK) |
| Chemical Name | ethyl 2-amino-5-fluoro-2,3-dihydro-1h-indene-2-carboxylate hcl |
| IUPAC Name | ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H14FNO2.ClH/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12;/h3-5H,2,6-7,14H2,1H3;1H |
| InChI Key | PTWVTLFWGYWFPR-UHFFFAOYSA-N |
| MDL Number | MFCD18711559 |
| Molecular Formula | C12H15ClFNO2 |
| Molecular Weight | 259.7044 |
| SMILES | Cl.CCOC(=O)C1(N)CC2=C(C1)C=C(F)C=C2 |
| Synonyms | 1272758-28-7,
Ethyl 2-amino-5-fluoro-2,3-dihydro-1H-indene-2-carboxylate hydrochloride,
ETHYL 2-AMINO-5-FLUORO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLATE HCL,
MFCD18711559,
AKOS027328880,
AS-36034,
AX8266577,
X-2808,
1H-Indene-2-carboxylic acid, 2-amino-5-fluoro-2,3-dihydro-, ethyl ester, hydrochloride,
1H-Indene-2-carboxylic acid, 2-amino-5-fluoro-2,3-dihydro-, ethyl ester, hydrochloride (1:1),
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.705g/mol |
| Monoisotopic Mass | 259.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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